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Chlorine in PDB 3i0y: Crystal Structure of A Putative Polyketide Cyclase (XCC0381) From Xanthomonas Campestris Pv. Campestris at 1.50 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Putative Polyketide Cyclase (XCC0381) From Xanthomonas Campestris Pv. Campestris at 1.50 A Resolution, PDB code: 3i0y was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.53 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.627, 98.776, 62.053, 90.00, 110.45, 90.00
R / Rfree (%) 16.9 / 20.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Putative Polyketide Cyclase (XCC0381) From Xanthomonas Campestris Pv. Campestris at 1.50 A Resolution (pdb code 3i0y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of A Putative Polyketide Cyclase (XCC0381) From Xanthomonas Campestris Pv. Campestris at 1.50 A Resolution, PDB code: 3i0y:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3i0y

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Chlorine binding site 1 out of 6 in the Crystal Structure of A Putative Polyketide Cyclase (XCC0381) From Xanthomonas Campestris Pv. Campestris at 1.50 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Putative Polyketide Cyclase (XCC0381) From Xanthomonas Campestris Pv. Campestris at 1.50 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl140

b:28.2
occ:1.00
 O A:HOH167 3.0 22.0 1.0
ND2 A:ASN126 3.1 22.6 0.5
N A:ASN41 3.2 13.8 1.0
CB A:ASN126 3.5 15.2 0.5
ND2 A:ASN126 3.6 38.1 0.5
CA A:LEU40 3.8 14.1 1.0
CB A:ASN41 3.8 14.4 1.0
CB A:ASN126 3.8 16.3 0.5
O A:HOH267 3.8 28.3 1.0
O A:HOH386 4.0 36.1 1.0
CG A:ASN126 4.0 10.4 0.5
C A:LEU40 4.0 13.8 1.0
CG A:ASN126 4.0 22.7 0.5
CE1 A:TYR128 4.1 15.0 1.0
CA A:ASN41 4.1 12.0 1.0
O A:HOH162 4.1 30.0 1.0
CB A:LEU40 4.3 13.9 1.0
O A:ASN126 4.4 13.5 0.5
CG A:LEU40 4.6 15.9 1.0
CZ A:PHE55 4.7 22.7 1.0
O A:ASP39 4.7 14.2 1.0
C A:ASN126 4.8 11.9 0.5
CA A:ASN126 4.8 13.1 0.5
CD1 A:TYR128 4.9 11.3 1.0
OH A:TYR128 4.9 21.5 1.0
CA A:ASN126 4.9 12.5 0.5
NE2 A:HIS38 5.0 16.6 1.0
N A:LEU40 5.0 13.1 1.0
CE1 A:PHE55 5.0 24.6 1.0
C A:ASN126 5.0 12.0 0.5

Chlorine binding site 2 out of 6 in 3i0y

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Chlorine binding site 2 out of 6 in the Crystal Structure of A Putative Polyketide Cyclase (XCC0381) From Xanthomonas Campestris Pv. Campestris at 1.50 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Putative Polyketide Cyclase (XCC0381) From Xanthomonas Campestris Pv. Campestris at 1.50 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl141

b:36.9
occ:1.00
 N A:GLN42 2.9 14.6 1.0
O A:HOH155 3.1 23.5 1.0
NE2 A:GLN42 3.2 13.8 1.0
CE1 A:TYR127 3.4 13.0 1.0
OD1 A:ASN41 3.4 12.7 1.0
CB B:ASN129 3.5 14.0 1.0
CD1 A:TYR127 3.6 12.4 1.0
CA A:ASN41 3.6 12.0 1.0
CA B:ASN129 3.6 15.0 1.0
CA A:GLN42 3.7 14.2 1.0
C A:ASN41 3.7 13.3 1.0
N B:ASN129 3.9 14.9 1.0
CG B:ASN129 3.9 19.9 1.0
ND2 B:ASN129 3.9 20.9 1.0
CD A:GLN42 4.0 15.2 1.0
O A:LEU40 4.0 16.9 1.0
O A:ASN126 4.0 14.9 0.5
O B:TYR128 4.1 13.9 1.0
C B:TYR128 4.1 12.2 1.0
O A:HOH392 4.2 29.8 1.0
CG A:ASN41 4.2 13.7 1.0
O A:HOH184 4.4 24.1 1.0
O A:ASN126 4.4 13.5 0.5
CB A:ASN41 4.5 14.4 1.0
CG A:GLN42 4.6 16.0 1.0
N A:ASN41 4.6 13.8 1.0
OD1 B:ASN129 4.6 18.6 1.0
CZ A:TYR127 4.6 14.4 1.0
OE1 A:GLN42 4.7 14.8 1.0
C A:LEU40 4.7 13.8 1.0
N A:GLY43 4.7 16.8 1.0
CB A:GLN42 4.7 15.9 1.0
C A:GLN42 4.8 18.1 1.0
CG A:TYR127 4.8 13.3 1.0
O A:ASN41 4.9 15.0 1.0

Chlorine binding site 3 out of 6 in 3i0y

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Chlorine binding site 3 out of 6 in the Crystal Structure of A Putative Polyketide Cyclase (XCC0381) From Xanthomonas Campestris Pv. Campestris at 1.50 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A Putative Polyketide Cyclase (XCC0381) From Xanthomonas Campestris Pv. Campestris at 1.50 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl140

b:21.5
occ:1.00
 O B:HOH171 3.1 22.4 1.0
O B:HOH192 3.1 24.2 1.0
ND2 B:ASN126 3.1 23.6 1.0
N B:ASN41 3.2 15.2 1.0
CB B:ASN126 3.7 16.3 1.0
CB B:ASN41 3.8 13.9 1.0
CA B:LEU40 3.9 15.5 1.0
CG B:ASN126 3.9 19.6 1.0
O B:HOH145 4.0 36.3 1.0
CZ B:PHE55 4.0 21.5 1.0
C B:LEU40 4.0 16.4 1.0
CA B:ASN41 4.1 12.1 1.0
CE1 B:TYR128 4.1 14.6 1.0
O6 B:UNL144 4.1 48.3 1.0
CB B:LEU40 4.4 17.7 1.0
CE1 B:PHE55 4.5 24.9 1.0
O B:HOH424 4.6 39.2 1.0
CG B:LEU40 4.6 15.9 1.0
O B:ASP39 4.7 14.1 1.0
OH B:TYR128 4.8 16.6 1.0
NE2 B:HIS38 4.8 17.1 1.0
O B:ASN126 4.9 16.5 1.0
CE2 B:PHE55 4.9 21.5 1.0
CZ B:TYR128 4.9 16.0 1.0
CA B:ASN126 4.9 13.5 1.0

Chlorine binding site 4 out of 6 in 3i0y

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Chlorine binding site 4 out of 6 in the Crystal Structure of A Putative Polyketide Cyclase (XCC0381) From Xanthomonas Campestris Pv. Campestris at 1.50 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of A Putative Polyketide Cyclase (XCC0381) From Xanthomonas Campestris Pv. Campestris at 1.50 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl141

b:27.7
occ:1.00
 O B:HOH184 2.9 25.6 1.0
N B:GLN42 2.9 14.8 1.0
OD1 B:ASN41 3.1 14.1 1.0
NE2 B:GLN42 3.3 12.9 1.0
CA A:ASN129 3.4 12.8 1.0
CB A:ASN129 3.5 14.6 1.0
CA B:ASN41 3.6 12.1 1.0
CD1 B:TYR127 3.6 15.1 1.0
CE1 B:TYR127 3.6 13.2 1.0
C B:ASN41 3.7 12.1 1.0
N A:ASN129 3.7 12.1 1.0
CG A:ASN129 3.8 13.2 1.0
O A:TYR128 3.9 12.9 1.0
CA B:GLN42 3.9 13.3 1.0
C A:TYR128 3.9 12.1 1.0
CD B:GLN42 4.0 13.4 1.0
O B:LEU40 4.0 14.8 1.0
O B:ASN126 4.0 16.5 1.0
ND2 A:ASN129 4.0 18.4 1.0
CG B:ASN41 4.0 10.9 1.0
O B:HOH183 4.2 24.4 1.0
CB B:ASN41 4.3 13.9 1.0
OD1 A:ASN129 4.5 14.5 1.0
N B:ASN41 4.5 15.2 1.0
O B:HOH164 4.6 17.0 1.0
CG B:GLN42 4.6 13.6 1.0
C B:LEU40 4.6 16.4 1.0
OE1 B:GLN42 4.7 15.0 1.0
CB B:GLN42 4.8 12.3 1.0
CG B:TYR127 4.8 12.5 1.0
N B:GLY43 4.8 14.1 1.0
CZ B:TYR127 4.8 13.1 1.0
C A:ASN129 4.8 14.8 1.0
O B:ASN41 4.9 14.7 1.0
C B:GLN42 4.9 14.3 1.0
CA A:TYR128 4.9 12.8 1.0

Chlorine binding site 5 out of 6 in 3i0y

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Chlorine binding site 5 out of 6 in the Crystal Structure of A Putative Polyketide Cyclase (XCC0381) From Xanthomonas Campestris Pv. Campestris at 1.50 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of A Putative Polyketide Cyclase (XCC0381) From Xanthomonas Campestris Pv. Campestris at 1.50 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl140

b:24.3
occ:1.00
 O C:HOH271 2.9 29.0 1.0
ND2 C:ASN126 3.0 29.3 1.0
O C:HOH185 3.0 24.0 1.0
N C:ASN41 3.1 13.9 1.0
CB C:ASN41 3.7 14.4 1.0
CB C:ASN126 3.8 16.9 1.0
CA C:LEU40 3.8 12.9 1.0
CG C:ASN126 3.8 26.1 1.0
C C:LEU40 4.0 13.7 1.0
O C:HOH300 4.0 29.7 1.0
CA C:ASN41 4.0 13.7 1.0
CE1 C:TYR128 4.1 15.1 1.0
CZ C:PHE55 4.3 20.5 1.0
CB C:LEU40 4.3 14.0 1.0
OH C:TYR128 4.6 21.1 1.0
CG C:LEU40 4.6 17.7 1.0
CE1 C:PHE55 4.6 21.0 1.0
O C:ASP39 4.8 14.2 1.0
NE2 C:HIS38 4.9 16.1 1.0
CZ C:TYR128 4.9 15.9 1.0
CD1 C:TYR128 4.9 15.3 1.0
O C:HOH234 4.9 44.5 1.0
O C:ASN126 5.0 15.7 1.0

Chlorine binding site 6 out of 6 in 3i0y

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Chlorine binding site 6 out of 6 in the Crystal Structure of A Putative Polyketide Cyclase (XCC0381) From Xanthomonas Campestris Pv. Campestris at 1.50 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of A Putative Polyketide Cyclase (XCC0381) From Xanthomonas Campestris Pv. Campestris at 1.50 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl140

b:24.2
occ:1.00
 O D:HOH170 3.0 27.4 1.0
O D:HOH208 3.1 22.0 1.0
ND2 D:ASN126 3.2 24.2 1.0
N D:ASN41 3.3 15.5 1.0
CB D:ASN126 3.8 19.6 1.0
CB D:ASN41 3.9 14.8 1.0
CA D:LEU40 3.9 16.5 1.0
CZ D:PHE55 4.0 24.9 1.0
CG D:ASN126 4.0 24.6 1.0
C D:LEU40 4.1 15.7 1.0
CA D:ASN41 4.2 16.5 1.0
CE1 D:PHE55 4.2 21.6 1.0
CE1 D:TYR128 4.3 13.8 1.0
CB D:LEU40 4.4 19.9 1.0
NE2 D:HIS38 4.6 18.4 1.0
CG D:LEU40 4.7 20.5 1.0
O D:ASP39 4.7 18.9 1.0
OH D:TYR128 4.9 19.9 1.0
O D:ASN126 5.0 20.0 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sat Jul 20 21:10:31 2024

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